Geometry & MOs

Info

ID:	159656
PubChem CID:	57288590
Reduced:	N2O3C28H29 (2)
Stoich.:	A2B3C28D29 (2)
Weight, g/mol:	272.174945
ΔH_f, kcal/mol:	-95.45
Dipole, Da:	4.11
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[bis(2-cyanoethyl)amino]ethyl-(2-cyanoethyl)amino]propanenitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC3=CC=CC=C3C=C2)CCCC(OC4=CC=CC5=C4C=CN5)OC(=O)C(=O)OC(CCCN6CCC(CC6)C7=CC8=CC=CC=C8C=C7)OC9=CC=CC1=C9C=CN1

DOS

IR

Vibrations